Sugi Predict

Sugi Predict / Compounds / SCHEMBL2068133

SCHEMBL2068133

SCHEMBL2068133

CCN(C)c1ccc([N+](=O)[O-])c(C)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TXNRD1 Q16881 6/20 0.45
▸ MAPT P10636 3/20 0.39
▸ CYP3A4 P08684 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ VCAM1 P19320 1/20 0.35
▸ GSR P00390 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSH P09668 1/20 0.35
▸ ENPP1 P22413 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ALDH3A1 P30838 1/20 0.34
▸ HCAR3 P49019 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2982554 0.85 MAPT (0.43) TXNRD1MAPTCYP3A4TSHRL3MBTL1
SCHEMBL2066899 0.83 TXNRD1 (0.51) TXNRD1MAPTCYP3A4TSHRL3MBTL1
SCHEMBL19172437 0.81 VCAM1 (0.40) TXNRD1MAPTALDH1A1KDM4ELMNA
SCHEMBL10056721 0.79 ALDH3A1 (0.43) TXNRD1MAPTCYP3A4TSHRL3MBTL1
SCHEMBL16732970 0.74 TSHR (0.41) TXNRD1MAPTCYP3A4TSHRL3MBTL1
SCHEMBL18011022 0.73 TSHR (0.41) TXNRD1MAPTCYP3A4TSHRL3MBTL1
SCHEMBL1135629 0.71 CTSB (0.54) MAPTCYP3A4TSHRL3MBTL1ALDH1A1
SCHEMBL30810188 0.71 CTSB (0.54) MAPTCYP3A4TSHRL3MBTL1ALDH1A1
SCHEMBL963587 0.71 TXNRD1 (0.47) TXNRD1MAPTTSHRL3MBTL1ALDH1A1
SCHEMBL13910167 0.71 SMN1; SMN2 (0.35) TXNRD1MAPTCYP3A4TSHRL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102803259-A 1H-Imidazo[4, 5-c]quinolinone compounds, useful for the treatment of proliferative diseases NOVARTIS AG 2012-11-28 — — CN disclosed
EP-2438063-A1 1H-IMIDAZO[4,5-C]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-04-11 — — EP disclosed
WO-2010139747-A1 1H-IMIDAZO[4, 5-c]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2010-12-09 — — WO disclosed
WO-2010139747-A1 1H-IMIDAZO[4, 5-c]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2010-12-09 — — WO disclosed
US-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS NOVARTIS AG (CH) 2010-12-09 — — US disclosed
US-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS NOVARTIS AG (CH) 2010-12-09 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS PRKCA, ABL1, MYLK2 TXNRD1 1492/4885MAPT 1605/4885CYP3A4 2231/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.